4DYS
 
 | | Crystal Structure of Apo Swine Flu Influenza Nucleoprotein | | Descriptor: | Nucleocapsid protein | | Authors: | Lewis, H.A, Baldwin, E.T, Steinbacher, S, Maskos, K, Mortl, M, Kiefersauer, R, Edavettal, S, McDonnell, P.A, Pearce, B.C, Langley, D.R. | | Deposit date: | 2012-02-29 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | To be determined
To be Published
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4DYB
 | | Crystal Structure of WSN/A Influenza Nucleoprotein with BMS-883559 Ligand Bound | | Descriptor: | N-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]thiophene-2-carboxamide, Nucleocapsid protein | | Authors: | Lewis, H.A, Baldwin, E.T, Steinbacher, S, Maskos, K, Mortl, M, Kiefersauer, R, Edavettal, S, McDonnell, P.A, Pearce, B.C, Langley, D.R. | | Deposit date: | 2012-02-28 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | To be determined
To be Published
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4DYT
 | | Crystal Structure of WSN/A Influenza Nucleoprotein with Three Mutations (E53D, Y289H, Y313V) | | Descriptor: | Nucleocapsid protein | | Authors: | Lewis, H.A, Baldwin, E.T, Steinbacher, S, Maskos, K, Mortl, M, Kiefersauer, R, Edavettal, S, McDonnell, P.A, Pearce, B.C, Langley, D.R. | | Deposit date: | 2012-02-29 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | To be determined
To be Published
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4DYN
 | | Crystal Structure of WSN/A Influenza Nucleoprotein with BMS-885838 Ligand Bound | | Descriptor: | N-[4-chloranyl-5-[4-[[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl]piperazin-1-yl]-2-nitro-phenyl]pyridine-2-carboxamide, Nucleocapsid protein | | Authors: | Lewis, H.A, Baldwin, E.T, Steinbacher, S, Maskos, K, Mortl, M, Kiefersauer, R, Edavettal, S, McDonnell, P.A, Pearce, B.C, Langley, D.R. | | Deposit date: | 2012-02-29 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | To be determined
To be Published
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1POK
 | | Crystal structure of Isoaspartyl Dipeptidase | | Descriptor: | ASPARAGINE, Isoaspartyl dipeptidase, SULFATE ION, ... | | Authors: | Jozic, D, Kaiser, J.T, Huber, R, Bode, W, Maskos, K. | | Deposit date: | 2003-06-15 | | Release date: | 2004-06-22 | | Last modified: | 2018-05-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | X-ray structure of isoaspartyl dipeptidase from E.coli: a dinuclear zinc peptidase evolved from amidohydrolases.
J.Mol.Biol., 332, 2003
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1POJ
 | | Isoaspartyl Dipeptidase with bound inhibitor | | Descriptor: | 2-{[[(1S)-1-AMINO-2-CARBOXYETHYL](DIHYDROXY)PHOSPHORANYL]METHYL}-4-METHYLPENTANOIC ACID, Isoaspartyl dipeptidase, ZINC ION | | Authors: | Jozic, D, Kaiser, J.T, Huber, R, Bode, W, Maskos, K. | | Deposit date: | 2003-06-15 | | Release date: | 2004-06-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | X-ray structure of isoaspartyl dipeptidase from E.coli: a dinuclear zinc peptidase evolved from amidohydrolases.
J.Mol.Biol., 332, 2003
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1PO9
 | | Crytsal structure of isoaspartyl dipeptidase | | Descriptor: | Isoaspartyl dipeptidase, ZINC ION | | Authors: | Jozic, D, Kaiser, J.T, Huber, R, Bode, W, Maskos, K. | | Deposit date: | 2003-06-15 | | Release date: | 2004-06-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray structure of isoaspartyl dipeptidase from E.coli: a dinuclear zinc peptidase evolved from amidohydrolases.
J.Mol.Biol., 332, 2003
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6S41
 | | CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH XPC-7455 | | Descriptor: | 4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 | | Authors: | Focken, T, Maskos, K, Griessner, A, Krapp, S. | | Deposit date: | 2019-06-26 | | Release date: | 2019-10-02 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Identification of CNS-Penetrant Aryl Sulfonamides as Isoform-Selective NaV1.6 Inhibitors with Efficacy in Mouse Models of Epilepsy.
J.Med.Chem., 62, 2019
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1BUV
 | | CRYSTAL STRUCTURE OF THE MT1-MMP-TIMP-2 COMPLEX | | Descriptor: | CALCIUM ION, PROTEIN (MEMBRANE-TYPE MATRIX METALLOPROTEINASE (CDMT1-MMP)), PROTEIN (METALLOPROTEINASE INHIBITOR (TIMP-2)), ... | | Authors: | Fernandez-Catalan, C, Bode, W, Huber, R, Turk, D, Calvete, J.J, Lichte, A, Tschesche, H, Maskos, K. | | Deposit date: | 1998-09-07 | | Release date: | 1999-09-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal structure of the complex formed by the membrane type 1-matrix metalloproteinase with the tissue inhibitor of metalloproteinases-2, the soluble progelatinase A receptor.
EMBO J., 17, 1998
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1BQQ
 | | CRYSTAL STRUCTURE OF THE MT1-MMP--TIMP-2 COMPLEX | | Descriptor: | CALCIUM ION, MEMBRANE-TYPE MATRIX METALLOPROTEINASE, METALLOPROTEINASE INHIBITOR 2, ... | | Authors: | Fernandez-Catalan, C, Bode, W, Huber, R, Turk, D, Calvete, J.J, Lichte, A, Tschesche, H, Maskos, K. | | Deposit date: | 1998-08-18 | | Release date: | 1999-08-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal structure of the complex formed by the membrane type 1-matrix metalloproteinase with the tissue inhibitor of metalloproteinases-2, the soluble progelatinase A receptor.
EMBO J., 17, 1998
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2OW1
 | | MMP-9 active site mutant with trifluoromethyl hydroxamate inhibitor | | Descriptor: | (2R)-2-AMINO-3,3,3-TRIFLUORO-N-HYDROXY-2-{[(4-PHENOXYPHENYL)SULFONYL]METHYL}PROPANAMIDE, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Tochowicz, A, Bode, W, Maskos, K, Goettig, P. | | Deposit date: | 2007-02-15 | | Release date: | 2007-06-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity.
J.Mol.Biol., 371, 2007
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2OVZ
 | | MMP-9 active site mutant with phosphinate inhibitor | | Descriptor: | CALCIUM ION, CHLORIDE ION, Matrix metalloproteinase-9 (EC 3.4.24.35) (MMP-9) (92 kDa type IV collagenase) (92 kDa gelatinase) (Gelatinase B) (GELB), ... | | Authors: | Tochowicz, A, Bode, W, Maskos, K, Goettig, P. | | Deposit date: | 2007-02-15 | | Release date: | 2007-06-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity.
J.Mol.Biol., 371, 2007
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2OVX
 | | MMP-9 active site mutant with barbiturate inhibitor | | Descriptor: | 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-TRIONE, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Tochowicz, A, Bode, W, Maskos, K, Goettig, P. | | Deposit date: | 2007-02-15 | | Release date: | 2007-06-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity.
J.Mol.Biol., 371, 2007
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2OW0
 | | MMP-9 active site mutant with iodine-labeled carboxylate inhibitor | | Descriptor: | CALCIUM ION, CHLORIDE ION, Matrix metalloproteinase-9 (MMP-9) (92 kDa type IV collagenase) (92 kDa gelatinase) (Gelatinase B) (GELB), ... | | Authors: | Tochowicz, A, Bode, W, Maskos, K, Goettig, P. | | Deposit date: | 2007-02-15 | | Release date: | 2007-06-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity.
J.Mol.Biol., 371, 2007
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2OW2
 | | MMP-9 active site mutant with difluoro butanoic acid inhibitor | | Descriptor: | (3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENYL)SULFONYL]BUTANOIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Tochowicz, A, Bode, W, Maskos, K, Goettig, P. | | Deposit date: | 2007-02-15 | | Release date: | 2007-06-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity.
J.Mol.Biol., 371, 2007
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2NSM
 | | Crystal structure of the human carboxypeptidase N (Kininase I) catalytic domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Carboxypeptidase N catalytic chain, SULFATE ION | | Authors: | Keil, C, Maskos, K, Than, M, Hoopes, J.T, Huber, R, Tan, F, Deddish, P.A, Erdoes, E.G, Skidgel, R.A, Bode, W. | | Deposit date: | 2006-11-05 | | Release date: | 2007-04-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the human carboxypeptidase N (kininase I) catalytic domain
J.Mol.Biol., 366, 2007
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2QZW
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1RM8
 | | Crystal structure of the catalytic domain of MMP-16/MT3-MMP: Characterization of MT-MMP specific features | | Descriptor: | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, CALCIUM ION, Matrix metalloproteinase-16, ... | | Authors: | Lang, R, Braun, M, Sounni, N.E, Noel, A, Frankenne, F, Foidart, J.-M, Bode, W, Maskos, K. | | Deposit date: | 2003-11-27 | | Release date: | 2004-03-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the catalytic domain of MMP-16/MT3-MMP: characterization of MT-MMP specific features.
J.Mol.Biol., 336, 2004
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1SU3
 | | X-ray structure of human proMMP-1: New insights into collagenase action | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Jozic, D, Bourenkov, G, Lim, N.H, Nagase, H, Bode, W, Maskos, K, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2004-03-26 | | Release date: | 2004-12-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | X-ray structure of human proMMP-1: new insights into procollagenase activation and collagen binding.
J.Biol.Chem., 280, 2005
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4L52
 | | Crystal Structure of 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethan-1-one bound to TAK1-TAB1 | | Descriptor: | 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethanone, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera | | Authors: | Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M. | | Deposit date: | 2013-06-10 | | Release date: | 2013-07-03 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1.
Bioorg.Med.Chem.Lett., 23, 2013
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4L3P
 | | Crystal Structure of 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine bound to TAK1-TAB1 | | Descriptor: | 2-(1-benzothiophen-7-yl)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[2,3-c]pyridin-7-amine, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera | | Authors: | Wang, J, Hornberger, K.R, Crew, A.P, Steinbacher, S, Maskos, K, Moertl, M. | | Deposit date: | 2013-06-06 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1.
Bioorg.Med.Chem.Lett., 23, 2013
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6VN2
 | | USP7 IN COMPLEX WITH LIGAND COMPOUND 18 | | Descriptor: | 1-({7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)-1H-pyrrole-2,5-dione, ACETATE ION, Ubiquitin carboxyl-terminal hydrolase 7 | | Authors: | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | | Deposit date: | 2020-01-29 | | Release date: | 2020-04-29 | | Last modified: | 2020-06-17 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
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6VN3
 | | USP7 IN COMPLEX WITH LIGAND COMPOUND 23 | | Descriptor: | 1-{[7-(5-chloro-2-{[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}-1H-pyrrole-2,5-dione, Ubiquitin carboxyl-terminal hydrolase 7 | | Authors: | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | | Deposit date: | 2020-01-29 | | Release date: | 2020-04-29 | | Last modified: | 2020-06-17 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
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6VN6
 | | USP7 IN COMPLEX WITH LIGAND COMPOUND 14 | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION, [(2R)-5-chloro-7-{2-[(2S)-1-chloro-2,3-dihydroxypropan-2-yl]thieno[3,2-b]pyridin-7-yl}-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone | | Authors: | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | | Deposit date: | 2020-01-29 | | Release date: | 2020-04-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
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6VN5
 | | USP7 IN COMPLEX WITH LIGAND COMPOUND 7 | | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 7, [(2R)-7-(2-aminopyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone | | Authors: | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | | Deposit date: | 2020-01-29 | | Release date: | 2020-04-29 | | Last modified: | 2020-06-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
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